6-(5-chloranyl-2-methoxy-phenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(5-chloranyl-2-methoxy-phenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(5-chloro-2-methoxy-phenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(5-chloro-2-methoxyphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(5-chloro-2-methoxyphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(5-chloro-2-methoxy-phenyl)-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC=C)N3CCN(C3=N2)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC=C)N3CCN(C3=N2)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C18H18ClN5O3/c1-4-7-24-16(25)14-15(21(2)18(24)26)20-17-22(8-9-23(14)17)12-10-11(19)5-6-13(12)27-3/h4-6,10H,1,7-9H2,2-3H3